SCHEMBL4516019

SCHEMBL4516019

O=C(C1CCCCC1)N1CCc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.60
KEAP1 Q14145 1/20 0.54
HRH3 Q9Y5N1 4/20 0.52
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ENPP2 Q13822 1/20 0.45
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4516024 1.00 HDAC6 (0.60) HDAC6KEAP1HRH3KCNH2ALDH1A1
SCHEMBL4436317 0.85 HRH3 (0.58) HDAC6HRH3KCNH2ALDH1A1
SCHEMBL4436313 0.85 HRH3 (0.58) HDAC6HRH3KCNH2ALDH1A1
SCHEMBL4436367 0.85 HRH3 (0.53) HDAC6HRH3KCNH2
SCHEMBL4436365 0.85 HRH3 (0.53) HDAC6HRH3KCNH2
SCHEMBL4431947 0.84 HRH3 (0.52) HRH3KCNH2ALDH1A1ENPP2
SCHEMBL14080884 0.84 HRH3 (0.52) HRH3KCNH2ENPP2
SCHEMBL4438671 0.84 HRH3 (0.52) HRH3KCNH2ALDH1A1ENPP2
SCHEMBL4430310 0.84 HDAC6 (0.54) HDAC6HRH3KCNH2
SCHEMBL4431944 0.84 HRH3 (0.52) HRH3KCNH2ALDH1A1ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HDAC6 848/4885KEAP1 909/4885HRH3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.